CID 3057018

73931-97-2

Structural Information

Molecular Formula
C16H22N2O
SMILES
CC1=C(C(=C(C(=C1C)C)C(CN2C=CN=C2)O)C)C
InChI
InChI=1S/C16H22N2O/c1-10-11(2)13(4)16(14(5)12(10)3)15(19)8-18-7-6-17-9-18/h6-7,9,15,19H,8H2,1-5H3
InChIKey
FHWSSJUYUPONQH-UHFFFAOYSA-N
Compound name
2-imidazol-1-yl-1-(2,3,4,5,6-pentamethylphenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

258.17322 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.18050 163.5
[M+Na]+ 281.16244 177.0
[M+NH4]+ 276.20704 170.8
[M+K]+ 297.13638 172.3
[M-H]- 257.16594 166.0
[M+Na-2H]- 279.14789 169.2
[M]+ 258.17267 166.1
[M]- 258.17377 166.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe